8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol

C16H19NO3 — CID 115351923

IUPAC8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(c2cccc3[nH]ccc23)CCC2(CC1)OCCO2
InChIInChI=1S/C16H19NO3/c18-15(5-7-16(8-6-15)19-10-11-20-16)13-2-1-3-14-12(13)4-9-17-14/h1-4,9,17-18H,5-8,10-11H2
InChIKeyXLEILLFSJMCNPJ-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.67
Rot. Bonds1

About 8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol

8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 115351923) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID115351923
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(c2cccc3[nH]ccc23)CCC2(CC1)OCCO2
InChIInChI=1S/C16H19NO3/c18-15(5-7-16(8-6-15)19-10-11-20-16)13-2-1-3-14-12(13)4-9-17-14/h1-4,9,17-18H,5-8,10-11H2
InChIKeyXLEILLFSJMCNPJ-UHFFFAOYSA-N
XLogP2.67
TPSA54.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol with MolForge

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Related Compounds

2-ethyl-4-(1H-indol-4-yl)-2-methyloxan-4-ol
CID 115351890
4-(1H-indol-4-yl)-1-methylazepan-4-ol
CID 115351908
3-(1H-indol-4-yl)-1-methylpiperidin-3-ol
CID 12900687
5-(1-hydroxycyclopropyl)-1H-indol-4-ol
CID 117281432
4-(1H-indol-4-yl)-1-propylazepan-4-ol
CID 115351910
1-(1H-indol-4-yl)-3-propan-2-ylcyclohexan-1-ol
CID 107449693
[1-(1H-indol-4-yl)cyclobutyl]methanamine
CID 82607708
1H-indol-4-ol
CID 102220556
ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 91262908
1-(1-benzofuran-4-yl)cyclopropan-1-ol
CID 117277093
4-(1H-indol-4-yl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365814
1-(1H-indol-4-yl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663926

Frequently Asked Questions

What is the IUPAC name of 8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 115351923) is 8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol is OC1(c2cccc3[nH]ccc23)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is XLEILLFSJMCNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-15(5-7-16(8-6-15)19-10-11-20-16)13-2-1-3-14-12(13)4-9-17-14/h1-4,9,17-18H,5-8,10-11H2.
What are the key properties of 8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol?
8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 273.33 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-indol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 115351923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).